HMDB0014933 RDKit 3D Sulfasalazine 42 44 0 0 0 0 0 0 0 0999 V2000 7.5335 2.7469 -0.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 2.6888 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 3.8222 0.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 1.4247 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 1.3093 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 0.1286 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 0.0726 -0.0463 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6588 -1.0019 0.3866 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 -1.2711 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -1.2196 1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 -1.4880 2.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4314 -1.8209 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1234 -2.1687 1.2775 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.2521 -2.8293 2.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6168 -3.1858 0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 -0.7384 1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 0.1034 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 1.2377 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9942 2.0207 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 1.6533 -2.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 0.5042 -2.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 -0.2202 -1.0299 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 -1.8689 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 -1.5971 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 -0.9993 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6106 -0.9041 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2881 0.2751 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6580 0.3122 -0.7403 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9144 4.7692 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 2.2099 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.9617 2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 -1.4586 3.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -0.4594 2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 1.4892 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5963 2.9209 -1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3268 2.2775 -3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 0.2445 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4439 -2.1227 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -1.6479 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 -1.9051 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 -1.8252 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 -0.5171 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 23 1 0 23 24 2 0 6 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 4 1 0 24 9 1 0 22 17 1 0 3 29 1 0 5 30 1 0 10 31 1 0 11 32 1 0 16 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 23 38 1 0 24 39 1 0 25 40 1 0 26 41 1 0 28 42 1 0 M END